2026-01-10_00000006
|
ligand
|
7I82
Crystal Structure of 20 bound to CK2a;
X-ray diffraction 1.73Å
Protein #1
328 residues (100% resolved)
Raw Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Canonical Sequence ...
SGPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVK
Non polymer #2
A1BZ0
InChI=1S/C31H30ClN5O2/c32-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-34-13-4-12-33-15-16-36-30-26-11-14-35-20-27(26)25-10-8-23(31(38)39)18-29(25)37-30/h1-3,5-11,14,17-18,20,33-34H,4,12-13,15-16,19H2,(H,36,37)(H,38,39)
InChI=1S/C31H30ClN5O2/c32-28-17-21(7-9-24(28)22-5-2-1-3-6-22)19-34-13-4-12-33-15-16-36-30-26-11-14-35-20-27(26)25-10-8-23(31(38)39)18-29(25)37-30/h1-3,5-11,14,17-18,20,33-34H,4,12-13,15-16,19H2,(H,36,37)(H,38,39)
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
c1ccc(cc1)c2ccc(cc2Cl)CNCCCNCCNc3c4ccncc4c5ccc(cc5n3)C(=O)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%